CID 464411

Aag140

Structural Information

Molecular Formula
C16H22N4O2
SMILES
C1CCC(C1)NC2=C3C(=NC=C2)N(C=N3)[C@H]4CC[C@H](O4)CO
InChI
InChI=1S/C16H22N4O2/c21-9-12-5-6-14(22-12)20-10-18-15-13(7-8-17-16(15)20)19-11-3-1-2-4-11/h7-8,10-12,14,21H,1-6,9H2,(H,17,19)/t12-,14+/m0/s1
InChIKey
GPJWNZKHYBTVFX-GXTWGEPZSA-N
Compound name
[(2S,5R)-5-[7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

302.1743 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.18158 166.6
[M+Na]+ 325.16352 172.7
[M-H]- 301.16702 173.3
[M+NH4]+ 320.20812 181.4
[M+K]+ 341.13746 169.8
[M+H-H2O]+ 285.17156 158.2
[M+HCOO]- 347.17250 184.7
[M+CH3COO]- 361.18815 177.1
[M+Na-2H]- 323.14897 165.9
[M]+ 302.17375 164.9
[M]- 302.17485 164.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.